![3-benzyl-7-((2,5-dimethylbenzyl)thio)-3H-[1,2,3]triazolo[4,5-d]pyrimidine structure](/static/products/863/863453-02-5.png)
3-benzyl-7-((2,5-dimethylbenzyl)thio)-3H-[1,2,3]triazolo[4,5-d]pyrimidine
TL;DR: 3-benzyl-7-((2,5-dimethylbenzyl)thio)-3H-[1,2,3]triazolo[4,5-d]pyrimidine (CAS 863453-02-5) is a chemical compound with molecular formula C20H19N5S and molecular weight 361.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-7-[(2,5-dimethylphenyl)methylsulfanyl]triazolo[4,5-d]pyrimidine
Also Known As: 3-benzyl-7-((2,5-dimethylbenzyl)thio)-3H-[1,2,3]triazolo[4,5-d]pyrimidine, F0682-0081, 3-benzyl-7-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3H-[1,2,3]triazolo[4,5-d]pyrimidine, 3-benzyl-7-[(2,5-dimethylphenyl)methylsulfanyl]triazolo[4,5-d]pyrimidine
| Molecular Formula | C20H19N5S |
|---|---|
| Molecular Weight | 361.14 g/mol |
| LogP | 4.17874 |
| Topological Polar Surface Area | 56.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 361.1361 |
| Heavy Atoms | 26 |
| Complexity | 1042.7025 |
Chemical Identifiers
| CAS Number | 863453-02-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)CSC2=NC=NC3=C2N=NN3CC4=CC=CC=C4 |
Product Overview
3-benzyl-7-((2,5-dimethylbenzyl)thio)-3H-[1,2,3]triazolo[4,5-d]pyrimidine (CAS 863453-02-5), with molecular formula C20H19N5S and molecular weight 361.14 g/mol. IUPAC: 3-benzyl-7-[(2,5-dimethylphenyl)methylsulfanyl]triazolo[4,5-d]pyrimidine.
Chemical Property Profile of 3-benzyl-7-((2,5-dimethylbenzyl)thio)-3H-[1,2,3]triazolo[4,5-d]pyrimidine
Property Insights of 3-benzyl-7-((2,5-dimethylbenzyl)thio)-3H-[1,2,3]triazolo[4,5-d]pyrimidine
The XLogP value of 4.17874 indicates that 3-benzyl-7-((2,5-dimethylbenzyl)thio)-3H-[1,2,3]triazolo[4,5-d]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.49 Ų, 3-benzyl-7-((2,5-dimethylbenzyl)thio)-3H-[1,2,3]triazolo[4,5-d]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-benzyl-7-((2,5-dimethylbenzyl)thio)-3H-[1,2,3]triazolo[4,5-d]pyrimidine has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-benzyl-7-((2,5-dimethylbenzyl)thio)-3H-[1,2,3]triazolo[4,5-d]pyrimidine?
The CAS number of 3-benzyl-7-((2,5-dimethylbenzyl)thio)-3H-[1,2,3]triazolo[4,5-d]pyrimidine is 863453-02-5.
What is the molecular formula of 3-benzyl-7-((2,5-dimethylbenzyl)thio)-3H-[1,2,3]triazolo[4,5-d]pyrimidine?
The molecular formula of 3-benzyl-7-((2,5-dimethylbenzyl)thio)-3H-[1,2,3]triazolo[4,5-d]pyrimidine is C20H19N5S.
What is the molecular weight of 3-benzyl-7-((2,5-dimethylbenzyl)thio)-3H-[1,2,3]triazolo[4,5-d]pyrimidine?
The molecular weight of 3-benzyl-7-((2,5-dimethylbenzyl)thio)-3H-[1,2,3]triazolo[4,5-d]pyrimidine is 361.14 g/mol.
Where can I buy 3-benzyl-7-((2,5-dimethylbenzyl)thio)-3H-[1,2,3]triazolo[4,5-d]pyrimidine?
You can request a quote for 3-benzyl-7-((2,5-dimethylbenzyl)thio)-3H-[1,2,3]triazolo[4,5-d]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-benzyl-7-((2,5-dimethylbenzyl)thio)-3H-[1,2,3]triazolo[4,5-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-7-((2,5-dimethylbenzyl)thio)-3H-[1,2,3]triazolo[4,5-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.